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High-pressure melting of MgSiO3
KTH, School of Engineering Sciences (SCI), Theoretical Physics, Condensed Matter Theory.ORCID iD: 0000-0001-7531-3210
KTH, School of Engineering Sciences (SCI), Theoretical Physics, Condensed Matter Theory.ORCID iD: 0000-0002-2076-5911
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
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2005 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 94, no 19Article in journal (Refereed) Published
Abstract [en]

The melting curve of MgSiO3 perovskite has been determined by means of ab initio molecular dynamics complemented by effective pair potentials, and a new phenomenological model of melting. Using first principles ground state calculations, we find that the MgSiO3 perovskite phase transforms into post perovskite at pressures above 100 GPa, in agreement with recent theoretical and experimental studies. We find that the melting curve of MgSiO3, being very steep at pressures below 60 GPa, rapidly flattens on increasing pressure. The experimental controversy on the melting of the MgSiO3 perovskite at high pressures is resolved, confirming the data by Zerr and Boehler.

Place, publisher, year, edition, pages
2005. Vol. 94, no 19
Keyword [en]
post-perovskite phase, abinitio molecular-dynamics, lower mantle, (mg,fe)sio3 perovskite, simulations, transition, temperatures, state, forsterite, equations
URN: urn:nbn:se:kth:diva-14765DOI: 10.1103/PhysRevLett.94.195701ISI: 000229277000034ScopusID: 2-s2.0-27144497291OAI: diva2:332806
QC 20100525Available from: 2010-08-05 Created: 2010-08-05Bibliographically approved

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Belonoshko, Anatoly B.Rosengren, AndersAhuja, RajeevJohansson, Börje
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